(2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N,N-dipropylpyrrolidine-2-carboxamide

C26H36ClN3O2 — CID 135307081

IUPAC(2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N,N-dipropylpyrrolidine-2-carboxamide
SMILESCCCN(CCC)C(=O)[C@@H]1C[C@H](NCc2ccc(OC)cc2)CN1Cc1ccccc1Cl
InChIInChI=1S/C26H36ClN3O2/c1-4-14-29(15-5-2)26(31)25-16-22(28-17-20-10-12-23(32-3)13-11-20)19-30(25)18-21-8-6-7-9-24(21)27/h6-13,22,25,28H,4-5,14-19H2,1-3H3/t22-,25-/m0/s1
InChIKeySYRQGCAUJRKBJB-DHLKQENFSA-N
MW458.05 g/mol
LogP4.73
Rot. Bonds11

About (2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N,N-dipropylpyrrolidine-2-carboxamide

(2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N,N-dipropylpyrrolidine-2-carboxamide (PubChem CID 135307081) has the molecular formula C26H36ClN3O2 and a molecular weight of 458.05 g/mol. Its IUPAC name is (2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N,N-dipropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N,N-dipropylpyrrolidine-2-carboxamide
PubChem CID135307081
Molecular FormulaC26H36ClN3O2
Molecular Weight458.05 g/mol
Exact Mass457.25
IUPAC Name(2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N,N-dipropylpyrrolidine-2-carboxamide
SMILESCCCN(CCC)C(=O)[C@@H]1C[C@H](NCc2ccc(OC)cc2)CN1Cc1ccccc1Cl
InChIInChI=1S/C26H36ClN3O2/c1-4-14-29(15-5-2)26(31)25-16-22(28-17-20-10-12-23(32-3)13-11-20)19-30(25)18-21-8-6-7-9-24(21)27/h6-13,22,25,28H,4-5,14-19H2,1-3H3/t22-,25-/m0/s1
InChIKeySYRQGCAUJRKBJB-DHLKQENFSA-N
XLogP4.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.05
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-1-[(2-chlorophenyl)methyl]-N-(2-cyclohexylethyl)-4-[(4-methoxyphenyl)methylamino]pyrrolidine-2-carboxamide
CID 135306993
(2S,4S)-1-[(2-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 135307082
(2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(3-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 45185777
(2S,4S)-1-[(4-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 135307015
(2S,4R)-1-[(4-chlorophenyl)methyl]-N,N-diethyl-4-(pyridin-4-ylmethylamino)pyrrolidine-2-carboxamide
CID 126464877
(2S,4S)-1-[(2-chlorophenyl)methyl]-N-ethyl-4-[(4-methoxynaphthalen-1-yl)methylamino]pyrrolidine-2-carboxamide
CID 118757919
(2S,4R)-1-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-[(4-methoxy-3-methylphenyl)methylamino]pyrrolidine-2-carboxamide
CID 126467521
1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 25246790
(2S,4S)-1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 135307067
(2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(2,5-difluorophenyl)methylamino]-N-methylpyrrolidine-2-carboxamide
CID 45244853
(2S,4S)-4-[(2-chlorophenyl)methylamino]-1-[[4-(diethylamino)phenyl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 118756237
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42394735

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N,N-dipropylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N,N-dipropylpyrrolidine-2-carboxamide (CID 135307081) is (2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N,N-dipropylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N,N-dipropylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N,N-dipropylpyrrolidine-2-carboxamide is CCCN(CCC)C(=O)[C@@H]1C[C@H](NCc2ccc(OC)cc2)CN1Cc1ccccc1Cl.
What is the InChIKey of (2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N,N-dipropylpyrrolidine-2-carboxamide?
The InChIKey is SYRQGCAUJRKBJB-DHLKQENFSA-N. The full InChI is InChI=1S/C26H36ClN3O2/c1-4-14-29(15-5-2)26(31)25-16-22(28-17-20-10-12-23(32-3)13-11-20)19-30(25)18-21-8-6-7-9-24(21)27/h6-13,22,25,28H,4-5,14-19H2,1-3H3/t22-,25-/m0/s1.
What are the key properties of (2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N,N-dipropylpyrrolidine-2-carboxamide?
(2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N,N-dipropylpyrrolidine-2-carboxamide has a molecular weight of 458.05 g/mol, XLogP of 4.73, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[(2-chlorophenyl)methyl]-4-[(4-methoxyphenyl)methylamino]-N,N-dipropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 135307081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).